Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_20 OH//m06l_molsimps/Co_3a1_20/OH LS Co_3a1_20_OH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1724.0598274; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_1_ VAC//m06l_molsimps/Co_3a1_1_/VAC HS Co_3a1_1_VAC_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1723.199806; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_35 OOH//m06l_molsimps/Co_32a_35/OOH LS Co_32a_35_OOH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1447.8531433; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_34 VAC//m06l_molsimps/Co_32a_34/VAC HS Co_32a_34_VAC_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1355.8561764; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_34 OOH//m06l_molsimps/Co_32a_34/OOH LS Co_32a_34_OOH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1506.8183181; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_32a_35 OH//m06l_molsimps/Co_32a_35/OH LS Co_32a_35_OH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1372.7182091; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_5_ VAC//m06l_molsimps/Co_31a_5_/VAC HS Co_31a_5_VAC_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1537.5512617; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_31a_5_ OOH//m06l_molsimps/Co_31a_5_/OOH LS Co_31a_5_OOH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1688.5156102; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_30 VAC//m06l_molsimps/Co_3a1_30/VAC HS Co_3a1_30_VAC_HSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1265.9979434; Eh | |||
 | 25-Feb-2021 | //m06l_molsimps/Co_3a1_30 OOH//m06l_molsimps/Co_3a1_30/OOH LS Co_3a1_30_OOH_LSm06l | Craig, Michael | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UM06L | 6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN | -1416.957954; Eh |
Results 521-530 of 569 (Search time: 0.001 seconds).
Discover
Subject
Program name
- 569 Gaussian